477712-93-9
Product Name:
ETHYL 1-(5-([(BENZOYLAMINO)CARBOTHIOYL]AMINO)-2-PYRIDINYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLATE
Formula:
C21H21N5O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 423.5 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 423.13651072 g/mol |
| Monoisotopic Mass | 423.13651072 g/mol |
| Topological Polar Surface Area | 130 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 628 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |